SCHEMBL28072305

SCHEMBL28072305

NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RUVBL1 Q9Y265 4/20 0.65
KDM4E B2RXH2 1/20 0.63
MEN1 O00255 1/20 0.63
LMNA P02545 1/20 0.63
MPO P05164 1/20 0.63
MAPT P10636 1/20 0.63
TSHR P16473 1/20 0.63
BLM P54132 1/20 0.63
PMP22 Q01453 1/20 0.63
KMT2A Q03164 1/20 0.63
HIF1A Q16665 1/20 0.63
AKT1 P31749 2/20 0.56
CDC7 O00311 1/20 0.56
CHUK O15111 1/20 0.56
MAPK13 O15264 1/20 0.56
DAPK3 O43293 1/20 0.56
DYRK3 O43781 1/20 0.56
ROCK2 O75116 1/20 0.56
RPS6KA5 O75582 1/20 0.56
PRKCG P05129 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11860142 1.00 RUVBL1 (0.65) RUVBL1KDM4EMEN1LMNAMPO
SCHEMBL9609465 0.92 MEN1 (0.71) RUVBL1KDM4EMEN1LMNAMPO
SCHEMBL30767397 0.92 MEN1 (0.71) RUVBL1KDM4EMEN1LMNAMPO
Hydrochloric Acid SCHEMBL19748758 0.92 RUVBL1 (0.73) RUVBL1KDM4EMEN1LMNAMPO
SCHEMBL9610738 0.92 MEN1 (0.71) RUVBL1KDM4EMEN1LMNAMPO
Hydrochloric Acid SCHEMBL21082966 0.90 MEN1 (0.69) RUVBL1KDM4EMEN1LMNAMPO
Hydrochloric Acid SCHEMBL19747056 0.90 MEN1 (0.69) RUVBL1KDM4EMEN1LMNAMPO
SCHEMBL8252240 0.88 RUVBL1 (0.70) RUVBL1KDM4EMEN1LMNAMPO
SCHEMBL7035663 0.87 RUVBL1 (0.66) RUVBL1KDM4EMEN1LMNAMPO
SCHEMBL6287113 0.87 RUVBL1 (0.66) RUVBL1KDM4EMEN1LMNAMPO

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105669520-A Tryptophan basic skeleton-containing o-phenylenediamine selective histone deacetylase inhibitor and its preparation method and use 山东大学 2016-06-15 CN disclosed